80657-64-3

Basic information

• Product Name: Ethyl(3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-Octahydro-4,7-methano-3aH-indene-3a-carboxylate
• Synonyms: Ethyl(3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-Octahydro-4,7-methano-3aH-indene-3a-carboxylate;4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester, (3aR,4S,7R,7aR)-rel-;4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester, (3 aalpha,4alpha,7alpha,7aalpha)-;7-methano-3ah-indene-3a-carboxylic acid, octahydro-,ethyl ester, (3a alpha,4 alpha,7 alpha,7a alpha);A mixture of: ethyl exo-tricyclo[5.2.1.02,6]decane-endo-2-carboxylate ethyl endo-tricyclo[5.2.1.02,6]decane-exo-2-carboxylate
• CAS NO: 80657-64-3
• Molecular Formula: C13H19O2-
• Molecular Weight: 207.28876
• EINECS: 407-520-0
• Mol File: 80657-64-3.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 261.8°Cat760mmHg
• Flash Point: 109.9°C
• Appearance: /
• Density: 1.106g/cm³
• Vapor Pressure: 0.0113mmHg at 25°C
• Refractive Index: 1.524
• Water Solubility: 36mg/L at 19℃
• CAS DataBase Reference: Ethyl(3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-Octahydro-4,7-methano-3aH-indene-3a-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: Ethyl(3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-Octahydro-4,7-methano-3aH-indene-3a-carboxylate(80657-64-3)
• EPA Substance Registry System: Ethyl(3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-Octahydro-4,7-methano-3aH-indene-3a-carboxylate(80657-64-3)

Safety Data

• Hazard Codes: Xi,N
• Statements: 38-51/53
• Safety Statements: 37-61
• Hazardous Substances Data: 80657-64-3(Hazardous Substances Data)

Usage

InChI:InChI=1/C13H20O2/c1-2-15-12(14)13-7-3-4-11(13)9-5-6-10(13)8-9/h9-11H,2-8H2,1H3/t9-,10+,11-,13-/m1/s1

Upstream product

• 64-17-5 ethanol 
• 4488-57-7 3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene 
• 201230-82-2 carbon monoxide 
• 148810-36-0 endo-tricyclo[5.2.1.02,6 ]decane-2-exo-carboxylic acid 

Relevant articles and documents

MODIFIED NAPHTHALENE FORMALDEHYDE RESIN, TRICYCLODECANE SKELETON-CONTAINING NAPHTHOL COMPOUND AND ESTER COMPOUND

A modified dimethylnaphthalene formaldehyde resin obtained by modifying a polyfunctional dimethylnaphthalene formaldehyde resin having a constituent unit represented by the following general formula [1] in a molecule thereof with at least one member selected from the group consisting of a phenol represented by the following general formula [2], a naphthol represented by the following general formula [3] and a naphthol represented by the following general formula [4] provided that at least any of the naphthol represented by the general formula [3] or the naphthol represented by the general formula [4] must be included.

Production process for high purity tricyclo-[5. 2.1.0 2,6]decane-2-carboxylic acid ester

An object of the present invention is to provide a process for producing high purity tricyclo[5. 2. 1. 02,6]decane-2-carboxylic acid ester which has a small content of an unsaturated compound and which has an excellent fragrance and is useful as a perfume or a perfume component. In a process for producing tricycle[5. 2. 1. 02,6]decane-2-carboxylic acid ester by reacting tricycle[5. 2. 1. 02,6]deca-3-ene with carbon monoxide and alcohol in the presence of HF, carried out separately are (a) a step in which tricycle[5. 2. 1. 02,6]deca-3-ene is reacted with carbon monoxide to produce acyl fluoride and (b) a step in which acyl fluoride obtained in the step described above is reacted with alcohol to produce an ester, whereby tricyclo[5. 2. 1. 02,6]decane-2-carboxylic acid ester having a small content of an unsaturated compound can be obtained at a high yield. Also, the reaction conditions at the step (a) described above are selected or a step for carrying out isomerization reaction of tricyclo[5. 2. 1. 02,6]decane-2-carboxylic fluoride obtained at the step (a) is interposed between the step (a) and the step (b), whereby capable of being efficiently produced is tricycle[5. 2. 1. 02,6]decane-2-carboxylic acid ester having a structural ratio of 1.0 or more in exo-tricyclo[5. 2. 1. 02,6]decane-endo-2-carboxylic acid ester/endo-tricyclo[5. 2. 1. 02,6]decane-exo-2-carboxylic acid ester Further, the crude product of tricyclo[5. 2. 1. 02,6]decane-2-carboxylic acid ester thus obtained is subjected to contact treatment with specific glycol in the presence of an acid catalyst and then distilled, whereby high purity tricyclo[5. 2. 1. 02,6]decane-2-carboxylic acid ester which is reduced in impurity aldehyde and which is excellent in a fragrance can industrially advantageously be produced.